CID 68910

La-2851

Structural Information

Molecular Formula

C₆H₈N₆

SMILES

CC1=NN2C(=C1)N=C(N=C2N)N

InChI

InChI=1S/C6H8N6/c1-3-2-4-9-5(7)10-6(8)12(4)11-3/h2H,1H3,(H4,7,8,9,10)

InChIKey

CDMRMPWJHYFXJJ-UHFFFAOYSA-N

Compound name

7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 63
Patents: 164.08104 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	165.088316	132.5
[M+Na]+	187.070258	145.0
[M-H]-	163.073764	132.6
[M+NH4]+	182.114863	150.4
[M+K]+	203.044198	141.3
[M+H-H2O]+	147.078300	124.4
[M+HCOO]-	209.079241	155.7
[M+CH3COO]-	223.094891	146.1
[M+Na-2H]-	185.055706	140.5
[M]+	164.08049142	132.3
[M]-	164.08158858	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe